1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one

C19H24N2O2 — CID 91844338

IUPAC1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one
SMILESCn1c(=O)c(CN2CCOC3(CCCC3)C2)cc2ccccc21
InChIInChI=1S/C19H24N2O2/c1-20-17-7-3-2-6-15(17)12-16(18(20)22)13-21-10-11-23-19(14-21)8-4-5-9-19/h2-3,6-7,12H,4-5,8-11,13-14H2,1H3
InChIKeyXBOYCGGHIAHMSU-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.68
Rot. Bonds2

About 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one

1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one (PubChem CID 91844338) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one
PubChem CID91844338
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one
SMILESCn1c(=O)c(CN2CCOC3(CCCC3)C2)cc2ccccc21
InChIInChI=1S/C19H24N2O2/c1-20-17-7-3-2-6-15(17)12-16(18(20)22)13-21-10-11-23-19(14-21)8-4-5-9-19/h2-3,6-7,12H,4-5,8-11,13-14H2,1H3
InChIKeyXBOYCGGHIAHMSU-UHFFFAOYSA-N
XLogP2.68
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one?
The IUPAC name of 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one (CID 91844338) is 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one.
What is the SMILES notation for 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one?
The canonical SMILES for 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one is Cn1c(=O)c(CN2CCOC3(CCCC3)C2)cc2ccccc21.
What is the InChIKey of 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one?
The InChIKey is XBOYCGGHIAHMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-20-17-7-3-2-6-15(17)12-16(18(20)22)13-21-10-11-23-19(14-21)8-4-5-9-19/h2-3,6-7,12H,4-5,8-11,13-14H2,1H3.
What are the key properties of 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one?
1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one has a molecular weight of 312.41 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)quinolin-2-one is sourced from PubChem (CID 91844338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).